SCHEMBL29011998

SCHEMBL29011998

CC(C)CC(=O)OC(=O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.37
CYP2C19 P33261 1/20 0.34
PRKCA P17252 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MIF P14174 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8855146 0.86 MAPT (0.34) TP53ALOX15
SCHEMBL181917 0.83 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL29614 0.82 TP53 (0.31) TP53
SCHEMBL29186681 0.82 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL248143 0.82 ALDH1A1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1365024 0.80 SMN1; SMN2 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2180359 0.80
SCHEMBL4435955 0.80
SCHEMBL935214 0.80 ALDH1A1 (0.42) ALDH1A1TP53
SCHEMBL288874 0.80 NAAA (0.38) ALDH1A1CYP2C19TP53ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed